diff --git a/modules/mol/base/src/entity_handle.cc b/modules/mol/base/src/entity_handle.cc index 63145be7e22f3f03cafbbc7d08ba0c71c12a9aa8..0abad5ede1b3241f05300b5768cf0b7c332f4c12 100644 --- a/modules/mol/base/src/entity_handle.cc +++ b/modules/mol/base/src/entity_handle.cc @@ -364,7 +364,14 @@ AtomHandleList EntityHandle::GetAtomList() const geom::Vec3List EntityHandle::GetAtomPosList() const { this->CheckValidity(); - return Impl()->GetAtomPosList(); + geom::Vec3List atom_pos_list; + atom_pos_list.reserve(this->GetAtomCount()); + AtomHandleList atom_list=this->GetAtomList(); + for (AtomHandleList::const_iterator a=atom_list.begin(), e=atom_list.end(); a!=e; ++a) { + atom_pos_list.push_back(a->GetPos()); + } + return atom_pos_list; + //return Impl()->GetAtomPosList(); } EntityHandle EntityHandle::GetHandle() const diff --git a/modules/mol/base/src/impl/entity_impl.cc b/modules/mol/base/src/impl/entity_impl.cc index f2fbd6d817529edf879b9438f8f71c37d84b56d7..6942ce00fee8b3a93f45e31c083b90c51c80bdd3 100644 --- a/modules/mol/base/src/impl/entity_impl.cc +++ b/modules/mol/base/src/impl/entity_impl.cc @@ -307,14 +307,6 @@ geom::Vec3 EntityImpl::GetCenterOfMass() const { return center; } -geom::Vec3List EntityImpl::GetAtomPosList() const { - geom::Vec3List atom_pos_list; - atom_pos_list.reserve(this->GetAtomCount()); - for(AtomImplMap::const_iterator it = atom_map_.begin();it!=atom_map_.end();++it) { - atom_pos_list.push_back(it->second->TransformedPos()); - } - return atom_pos_list; -} Real EntityImpl::GetMass() const { double mass=0.0; diff --git a/modules/mol/base/src/impl/entity_impl.hh b/modules/mol/base/src/impl/entity_impl.hh index 8d8e530172e9f8160a212bdf7cb48522d75119b1..d1d1ca050f30a7fdee8d7ab5d64bf417ee183dc8 100644 --- a/modules/mol/base/src/impl/entity_impl.hh +++ b/modules/mol/base/src/impl/entity_impl.hh @@ -93,7 +93,6 @@ public: Real GetMass() const; geom::Vec3 GetCenterOfMass() const; geom::Vec3 GetCenterOfAtoms() const; - geom::Vec3List GetAtomPosList() const; /// \brief returns the axis-aligned bounding box of the entity geom::AlignedCuboid GetBounds() const;